CS-0098885
Ethyl 1-(4-methoxybenzyl)-4,6-dioxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Manufacturer: ChemScene
CAS Number: 2105905-45-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₇H₁₇N₃O₅
Molecular Weight
343.33
Synonyms
None
SMILES
O=C(C1C(C2=C(N(CC3=CC=C(OC)C=C3)N=C2)NC1=O)=O)OCC
Tpsa
99.52
Logp
1.2541
H Acceptors
7
H Donors
1
Rotatable Bonds
5
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇N₃O₅
Molecular Weight: 343.33
Synonyms: None
SMILES: O=C(C1C(C2=C(N(CC3=CC=C(OC)C=C3)N=C2)NC1=O)=O)OCC
Tpsa: 99.52
Logp: 1.2541
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇N₃O₅
Molecular Weight:
343.33
Synonyms:
None
SMILES:
O=C(C1C(C2=C(N(CC3=CC=C(OC)C=C3)N=C2)NC1=O)=O)OCC
Tpsa:
99.52
Logp:
1.2541
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
5
Purity: 97%
MDL No: MFCD12024284
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₀Br₃N
Molecular Weight: 479.99
Synonyms: 3,6-Dibromo-9-(4-bromophenyl)-9H-carbazole
SMILES: BrC1=CC2=C(N(C3=CC=C(Br)C=C3)C4=C2C=C(Br)C=C4)C=C1
Tpsa: 4.93
Logp: 7.0712
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD12024284
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₀Br₃N
Molecular Weight:
479.99
Synonyms:
3,6-Dibromo-9-(4-bromophenyl)-9H-carbazole
SMILES:
BrC1=CC2=C(N(C3=CC=C(Br)C=C3)C4=C2C=C(Br)C=C4)C=C1
Tpsa:
4.93
Logp:
7.0712
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₀N₂OS₂
Molecular Weight: 274.36
Synonyms: None
SMILES: O=C(NC1=NC2=CC=CC=C2S1)CC3=CC=CS3
Tpsa: 41.99
Logp: 3.539
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₀N₂OS₂
Molecular Weight:
274.36
Synonyms:
None
SMILES:
O=C(NC1=NC2=CC=CC=C2S1)CC3=CC=CS3
Tpsa:
41.99
Logp:
3.539
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₁₂N₄O₄
Molecular Weight: 420.38
Synonyms: 2,7-Di(4-pyridinyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
SMILES: O=C(N(C1=CC=NC=C1)C(C2=C3C4=C(C(N5C6=CC=NC=C6)=O)C=C2)=O)C3=CC=C4C5=O
Tpsa: 100.54
Logp: 3.231
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₁₂N₄O₄
Molecular Weight:
420.38
Synonyms:
2,7-Di(4-pyridinyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
SMILES:
O=C(N(C1=CC=NC=C1)C(C2=C3C4=C(C(N5C6=CC=NC=C6)=O)C=C2)=O)C3=CC=C4C5=O
Tpsa:
100.54
Logp:
3.231
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2